Package org.openscience.cdk.iupac.parser
Class MoleculeBuilder
java.lang.Object
org.openscience.cdk.iupac.parser.MoleculeBuilder
Takes in parsed Tokens from NomParser and contains rules
to convert those tokens to a Molecule.
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Constructor Summary
ConstructorsConstructorDescriptionInstantiates a builder using theDefaultChemObjectBuilder
.MoleculeBuilder
(IChemObjectBuilder builder) -
Method Summary
Modifier and TypeMethodDescriptionprotected IAtomContainer
buildMolecule
(int mainChain, List<AttachedGroup> attachedSubstituents, List<AttachedGroup> attachedGroups, boolean isMainCyclic, String name) Start of the process of building a molecule from the parsed data.
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Constructor Details
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MoleculeBuilder
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MoleculeBuilder
public MoleculeBuilder()Instantiates a builder using theDefaultChemObjectBuilder
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Method Details
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buildMolecule
protected IAtomContainer buildMolecule(int mainChain, List<AttachedGroup> attachedSubstituents, List<AttachedGroup> attachedGroups, boolean isMainCyclic, String name) throws ParseException, CDKException Start of the process of building a molecule from the parsed data. Passes the parsed tokens to other functions which build up the Molecule.- Parameters:
mainChain
- The string representation of the length of the main chain.attachedSubstituents
- A vector of AttachedGroup's representing substituents.attachedGroups
- A vector of AttachedGroup's representing functional groups.isMainCyclic
- An indication of if the main chain is cyclic.- Returns:
- The molecule as built from the parsed tokens.
- Throws:
ParseException
CDKException
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